(4-benzo[c][2,1]benzoxaphosphinin-6-yloxy-3,5-ditert-butyl-phenyl)methyl N,N-dioctylcarbamodithioate

Systemtic Name: (4-benzo[c][2,1]benzoxaphosphinin-6-yloxy-3,5-ditert-butyl-phenyl)methyl N,N-dioctylcarbamodithioate Openeye Name: (4-benzo[c][2,1]benzoxaphosphinin-6-yloxy-3,5-ditert-butyl-phenyl)methyl N,N-dioctylcarbamodithioate CAS Name: N,N-dioctylcarbamodithioic acid [4-(6-benzo[c][2,1]benzoxaphosphorinyloxy)-3,5-ditert-butylphenyl]methyl ester IUPAC Name: (4-benzo[c][2,1]benzoxaphosphinin-6-yloxy-3,5-ditert-butylphenyl)methyl N,N-dioctylcarbamodithioate Traditional Name: N,N-dioctylcarbamodithioic acid (4-benzo[c][2,1]benzoxaphosphorin-6-yloxy-3,5-ditert-butyl-benzyl) ester Formula: C44H64NO2PS2 MolecularWeight: 734.088221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(=S)SCC1=CC(=C(C(=C1)C(C)(C)C)OP2C3=CC=CC=C3C4=CC=CC=C4O2)C(C)(C)C

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(=S)SCC1=CC(=C(C(=C1)C(C)(C)C)OP2C3=CC=CC=C3C4=CC=CC=C4O2)C(C)(C)C

InChI

InChI=1S/C44H64NO2PS2/c1-9-11-13-15-17-23-29-45(30-24-18-16-14-12-10-2)42(49)50-33-34-31-37(43(3,4)5)41(38(32-34)44(6,7)8)47-48-40-28-22-20-26-36(40)35-25-19-21-27-39(35)46-48/h19-22,25-28,31-32H,9-18,23-24,29-30,33H2,1-8H3